Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03324349
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
TDC | 5A,6-ANHYDROTETRACYCLINE | A | 2VKV | 0.7 | |
TDC | 5A,6-ANHYDROTETRACYCLINE | A | 2VPR | 0.7 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.76 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.76 | |
SHA | SALICYLHYDROXAMIC ACID | X | 1V0H | 0.74 | |
SHA | SALICYLHYDROXAMIC ACID | A | 2QPK | 0.74 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3FNL | 0.74 | |
SHA | SALICYLHYDROXAMIC ACID | A | 3GCJ | 0.74 | |
SHA | SALICYLHYDROXAMIC ACID | A | 1CK6 | 0.74 | |
IFB | N-[(2',4'-DIFLUORO-4-HYDROXY-5- IODOBIPHENYL-3-YL)CARBONYL]-BETA- ALANINE | A,B | 3FCB | 0.73 | |
DB1 | 2,3-DIHYDROXYBENZAMIDE | A,B,C | 1X71 | 0.74 | |
IFA | A,B | 3FC8 | 0.71 | ||
PY9 | 4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol | A,B | 3EKR | 0.7 | |
K05 | (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN- 1-YL)METHYLENE]BENZOHYDRAZIDE | A,B | 2I5J | 0.8 | |
ECA | N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3- DIHYDROXYBENZAMIDE) | A,B | 2CHU | 0.72 | |
2RB | N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]- 4-methoxybenzohydrazide | A,B,C,D,E,F | 3DP1 | 0.7 | |
HBD | 4-HYDROXYBENZAMIDE | B,C,D | 1BEN | 0.71 | |
2BE | 4-chloro-N'-[(1E)-(3,5-dibromo- 2,4-dihydroxyphenyl)methylidene]benzohydrazide | A,B,C,D,E,F | 3DOY | 0.71 | |
ADL | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.7 | |
OAL | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.7 | |
M54 | 6-(3-aminopropyl)-4-(3-hydroxyphenyl)- 9-(1H-pyrazol-4-yl)benzo[h]isoquinolin- 1(2H)-one | A | 2R0U | 0.71 | |
3BE | 3-bromo-N'-[(1E)-(3,5-dibromo-2,4- dihydroxyphenyl)methylidene]benzohydrazide | A,B,C,D,E,F | 3DOZ | 0.76 | |
1BA | 4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE | A | 2GPP | 0.79 | |
709 | N-(7-CARBAMIMIDOYL-NAPHTHALEN-1- YL)-3-HYDROXY-2-METHYL-BENZAMIDE | A | 1ZSJ | 0.7 | |
4BB | 4-tert-butyl-N'-[(1E)-(3,5-dibromo- 2,4-dihydroxyphenyl)methylidene]benzohydrazide | A,B,C,D,E,F | 3DP3 | 0.76 | |
4BE | 4-bromo-N'-[(1E)-(3,5-dibromo-2,4- dihydroxyphenyl)methylidene]benzohydrazide | A,B,C,D,E,F | 3DP2 | 0.75 | |
SCL | ACETIC ACID SALICYLOYL-AMINO-ESTER | A | 1EBV | 0.73 | |
2BC | N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene- 2-carbohydrazide | A,B,C,D,E,F | 3DP0 | 0.8 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.73 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.73 |